CID 135418284

4(3h)-pteridinone, 2-(ethoxymethyl)-

Structural Information

Molecular Formula
C9H10N4O2
SMILES
CCOCC1=NC2=NC=CN=C2C(=O)N1
InChI
InChI=1S/C9H10N4O2/c1-2-15-5-6-12-8-7(9(14)13-6)10-3-4-11-8/h3-4H,2,5H2,1H3,(H,11,12,13,14)
InChIKey
SFWVULIFVPNTOF-UHFFFAOYSA-N
Compound name
2-(ethoxymethyl)-3H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

53
Patents

206.08037 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08765 144.0
[M+Na]+ 229.06959 158.2
[M+NH4]+ 224.11419 150.3
[M+K]+ 245.04353 152.2
[M-H]- 205.07309 143.4
[M+Na-2H]- 227.05504 150.1
[M]+ 206.07982 145.7
[M]- 206.08092 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe